4-[4-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-1-ium-2-yl]sulfanylbutan-2-one chloride

Systemtic Name: 4-[4-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-1-ium-2-yl]sulfanylbutan-2-one chloride Openeye Name: 4-[4-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-1-ium-2-yl]sulfanylbutan-2-one chloride CAS Name: 4-[[4-methyl-6-(4-methyl-1-piperazinyl)-2-pyrimidin-1-iumyl]thio]-2-butanone chloride IUPAC Name: 4-[4-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-1-ium-2-yl]sulfanylbutan-2-one chloride Traditional Name: 4-[[4-methyl-6-(4-methylpiperazino)pyrimidin-1-ium-2-yl]thio]butan-2-one chloride Formula: C14H23ClN4OS MolecularWeight: 330.87662

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=[NH+]C(=N1)SCCC(=O)C)N2CCN(CC2)C.[Cl-]

Isomeric SMILES

CC1=CC(=[NH+]C(=N1)SCCC(=O)C)N2CCN(CC2)C.[Cl-]

InChI

InChI=1S/C14H22N4OS.ClH/c1-11-10-13(18-7-5-17(3)6-8-18)16-14(15-11)20-9-4-12(2)19;/h10H,4-9H2,1-3H3;1H